N-[5-methyl-2-oxidanylidene-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]-1-phenethyl-piperidin-1-ium-1-carboxamide

Systemtic Name: N-[5-methyl-2-oxidanylidene-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]-1-phenethyl-piperidin-1-ium-1-carboxamide Openeye Name: N-[3-methyl-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetyl]butyl]-1-phenethyl-piperidin-1-ium-1-carboxamide CAS Name: N-[5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]-1-phenethyl-1-piperidin-1-iumcarboxamide IUPAC Name: N-[5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]-1-phenethylpiperidin-1-ium-1-carboxamide Traditional Name: N-[3-methyl-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetyl]butyl]-1-phenethyl-piperidin-1-ium-1-carboxamide Formula: C31H44N3O2+ MolecularWeight: 490.69996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)CN1CCCC2=CC=CC=C2C1)NC(=O)[N+]3(CCCCC3)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)CN1CCCC2=CC=CC=C2C1)NC(=O)[N+]3(CCCCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C31H43N3O2/c1-25(2)22-29(30(35)24-33-18-11-16-27-14-7-8-15-28(27)23-33)32-31(36)34(19-9-4-10-20-34)21-17-26-12-5-3-6-13-26/h3,5-8,12-15,25,29H,4,9-11,16-24H2,1-2H3/p+1