(2S)-N-(9-ethylcarbazol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(9-ethyl-3-carbazolyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C26H31N5O+2 MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)[C@H](C)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C51

InChI

InChI=1S/C26H29N5O/c1-3-31-23-9-5-4-8-21(23)22-18-20(11-12-24(22)31)28-26(32)19(2)29-14-16-30(17-15-29)25-10-6-7-13-27-25/h4-13,18-19H,3,14-17H2,1-2H3,(H,28,32)/p+2/t19-/m0/s1