(3S)-N,N-diethyl-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[(9-ethyl-3-carbazolyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-[(9-ethylcarbazol-3-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C25H34N3O+ MolecularWeight: 392.55696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CCCC(C3)C(=O)N(CC)CC)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CCC[C@@H](C3)C(=O)N(CC)CC)C4=CC=CC=C41

InChI

InChI=1S/C25H33N3O/c1-4-27(5-2)25(29)20-10-9-15-26(18-20)17-19-13-14-24-22(16-19)21-11-7-8-12-23(21)28(24)6-3/h7-8,11-14,16,20H,4-6,9-10,15,17-18H2,1-3H3/p+1/t20-/m0/s1