[6-(cyclopropylmethylamino)pyridin-1-ium-3-yl]-[(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]methanone

Systemtic Name: [6-(cyclopropylmethylamino)pyridin-1-ium-3-yl]-[(3S)-3-ethyl-4-propan-2-yl-piperazin-4-ium-1-yl]methanone Openeye Name: [6-(cyclopropylmethylamino)pyridin-1-ium-3-yl]-[(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]methanone CAS Name: [6-(cyclopropylmethylamino)-3-pyridin-1-iumyl]-[(3S)-3-ethyl-4-propan-2-yl-1-piperazin-4-iumyl]methanone IUPAC Name: [6-(cyclopropylmethylamino)pyridin-1-ium-3-yl]-[(3S)-3-ethyl-4-propan-2-ylpiperazin-4-ium-1-yl]methanone Traditional Name: [6-(cyclopropylmethylamino)pyridin-1-ium-3-yl]-[(3S)-3-ethyl-4-isopropyl-piperazin-4-ium-1-yl]methanone Formula: C19H32N4O+2 MolecularWeight: 332.48358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC[NH+]1C(C)C)C(=O)C2=C[NH+]=C(C=C2)NCC3CC3

Isomeric SMILES

CC[C@H]1CN(CC[NH+]1C(C)C)C(=O)C2=C[NH+]=C(C=C2)NCC3CC3

InChI

InChI=1S/C19H30N4O/c1-4-17-13-22(9-10-23(17)14(2)3)19(24)16-7-8-18(21-12-16)20-11-15-5-6-15/h7-8,12,14-15,17H,4-6,9-11,13H2,1-3H3,(H,20,21)/p+2/t17-/m0/s1