6-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[4-(cyclopropylmethyl)-1-piperazin-4-iumyl]-N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridin-1-ium-3-carboxamide Formula: C22H38N5O+3 MolecularWeight: 388.57002

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCNC(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4CC4

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCNC(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4CC4

InChI

InChI=1S/C22H35N5O/c1-25-11-3-2-4-20(25)9-10-23-22(28)19-7-8-21(24-16-19)27-14-12-26(13-15-27)17-18-5-6-18/h7-8,16,18,20H,2-6,9-15,17H2,1H3,(H,23,28)/p+3/t20-/m0/s1