5-nitro-3-phenyl-1-(phenylmethyl)-2-(piperidin-1-ium-1-ylmethyl)indole

Systemtic Name: 5-nitro-3-phenyl-1-(phenylmethyl)-2-(piperidin-1-ium-1-ylmethyl)indole Openeye Name: 1-benzyl-5-nitro-3-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole CAS Name: 5-nitro-3-phenyl-1-(phenylmethyl)-2-(1-piperidin-1-iumylmethyl)indole IUPAC Name: 1-benzyl-5-nitro-3-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole Traditional Name: 1-benzyl-5-nitro-3-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole Formula: C27H28N3O2+ MolecularWeight: 426.53012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2/c31-30(32)23-14-15-25-24(18-23)27(22-12-6-2-7-13-22)26(20-28-16-8-3-9-17-28)29(25)19-21-10-4-1-5-11-21/h1-2,4-7,10-15,18H,3,8-9,16-17,19-20H2/p+1