N-[azepan-1-ium-1-ylidene-[bis(azepan-1-yl)phosphoryl]methyl]-4-chloranyl-aniline

Systemtic Name: N-[azepan-1-ium-1-ylidene-[bis(azepan-1-yl)phosphoryl]methyl]-4-chloranyl-aniline Openeye Name: N-[azepan-1-ium-1-ylidene-[bis(azepan-1-yl)phosphoryl]methyl]-4-chloro-aniline CAS Name: N-[1-azepan-1-iumylidene-[bis(1-azepanyl)phosphoryl]methyl]-4-chloroaniline IUPAC Name: N-[azepan-1-ium-1-ylidene-[bis(azepan-1-yl)phosphoryl]methyl]-4-chloroaniline Traditional Name: [azepan-1-ium-1-ylidene-[bis(azepan-1-yl)phosphoryl]methyl]-(4-chlorophenyl)amine Formula: C25H41ClN4OP+ MolecularWeight: 480.046001

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)P(=O)(C(=[N+]2CCCCCC2)NC3=CC=C(C=C3)Cl)N4CCCCCC4

Isomeric SMILES

C1CCCN(CC1)P(=O)(C(=[N+]2CCCCCC2)NC3=CC=C(C=C3)Cl)N4CCCCCC4

InChI

InChI=1S/C25H40ClN4OP/c26-23-13-15-24(16-14-23)27-25(28-17-7-1-2-8-18-28)32(31,29-19-9-3-4-10-20-29)30-21-11-5-6-12-22-30/h13-16H,1-12,17-22H2/p+1