azepan-1-yl-[(3R)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3R)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3R)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3R)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3R)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3R)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Formula: C24H39N3O+2 MolecularWeight: 385.58596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H37N3O/c28-24(26-14-6-1-2-7-15-26)22-11-8-16-27(20-22)23-12-17-25(18-13-23)19-21-9-4-3-5-10-21/h3-5,9-10,22-23H,1-2,6-8,11-20H2/p+2/t22-/m1/s1