azepan-1-yl-[(3S)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3S)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3S)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3S)-1-[(9-ethyl-3-carbazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3S)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3S)-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C27H36N3O+ MolecularWeight: 418.59424

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CCCC(C3)C(=O)N4CCCCCC4)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CCC[C@@H](C3)C(=O)N4CCCCCC4)C5=CC=CC=C51

InChI

InChI=1S/C27H35N3O/c1-2-30-25-12-6-5-11-23(25)24-18-21(13-14-26(24)30)19-28-15-9-10-22(20-28)27(31)29-16-7-3-4-8-17-29/h5-6,11-14,18,22H,2-4,7-10,15-17,19-20H2,1H3/p+1/t22-/m0/s1